4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H18ClNO5S — CID 2968373

IUPAC4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCO2)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO5S/c1-18-11-7-13(12(19-2)6-10(11)14)21(16,17)15-8-9-4-3-5-20-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNCYMXTUESXAPEU-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.81
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2968373) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2968373
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCO2)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO5S/c1-18-11-7-13(12(19-2)6-10(11)14)21(16,17)15-8-9-4-3-5-20-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNCYMXTUESXAPEU-UHFFFAOYSA-N
XLogP1.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793346
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793368
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
4-methoxy-2,3,5-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1085540
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2968373) is 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCC2CCCO2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NCYMXTUESXAPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-18-11-7-13(12(19-2)6-10(11)14)21(16,17)15-8-9-4-3-5-20-9/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2968373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).